ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    Ab initio relativistic effective potentials with spin–orbit operators. IV. Cs through Rn (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 6654-6670 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Ab initio averaged relativistic effective core potentials (AREP) and spin–orbit (SO) operators are reported for the elements Cs through Rn. Two sets have been calculated for certain elements to provide AREPs with varying core/valence space definitions thereby permitting the treatment of core–valence correlation interactions. The AREPs and SO operators are tabulated as expansions in Gaussian-type functions (GTF). GTF valence basis sets for the lowest energy state of each atom are tabulated. The reliability of the AREPs and SO operators is gauged by comparing calculated atomic excitation energies and SO splitting energies with all-electron relativistic values. Calculated atomic excitation energies are found to agree to 0.12 eV and SO energies to 3.4%.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458934
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Band-gap profiling for improving the efficiency of amorphous silicon alloy solar cells (1989)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 54 (1989), S. 2330-2332 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have developed an amorphous silicon alloy based solar cell with a novel structure in which the optical gap of the intrinsic layer changes in a substantial portion of the bulk. Computer simulation studies show that for a given short circuit current, it is possible with this structure to obtain higher open circuit voltage and fill factor than in a conventional cell design. Experimental cell structures have been made and confirm the theoretical prediction. The new cell design shows a considerable improvement in efficiency. Incorporation of this structure in the bottom cell of a triple device has resulted in the achievement of 13.7% efficiency under global AM1.5 illumination.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.101118
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Spectroscopic ellipsometry study of glow-discharge-deposited thin films of a-Ge:H (1986)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 60 (1986), S. 3724-3731 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Thin films of a-Ge:H with hydrogen contents ranging from 0 to 13 at. % prepared by the glow-discharge process have been studied by spectroscopic ellipsometry. The resulting ellipsometric parameters have been analyzed by using standard n-layer models, least-squares regression analysis, and the Bruggeman effective media approximation theory. The results of the analyses show that the atomic percentage of hydrogen, in the amorphous binary alloy of Ge and H, can be represented by a void volume fraction in an effective medium approximation. These results are compared with those of infrared absorption spectroscopy. A good correlation between the percentage void determined from ellipsometry and the H content measured in these a-Ge:H films is found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.337582
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    In situ threshold photoemission yields correlated to surface reconstructions of InAs (001) (2001)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 79 (2001), S. 2354-2356 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Threshold photoemission yields for As and In terminated reconstructions of InAs (001) are measured in situ and the variation of the photoyield is correlated with the surface stoichiometry. A significant excess in the measured photoelectron yield is found for the In terminated surfaces. These results are compared to a semiempirical model based on density-functional theory calculations of the surface local densities of states for the As terminated β2-(2×4) and newly predicted ζ-(4×2) reconstructions. The calculations are in good agreement with the measured trends, and provide a basis for the interpretation of threshold photoemission sensor signatures. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1406552
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Erratum: Ab initio relativistic effective potentials with spin–orbit operators. IV. Cs through Rn [J. Chem. Phys. 93, 6654 (1990)] (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 10198-10198 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468517
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Local density functional studies of electronic structure of Be135 (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 2555-2560 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Results of extensive studies of metallic beryllium modeled with 135 atoms are reported using a first-principles total energy molecular cluster approach based on the local density approximation. Binding energy, ionization potential, charge density, Mulliken populations, density of states and atomic forces are calculated. The results show that the ground state of Be135 is of a″ symmetry. The binding energy is 77.5 kcal/mol which is very close to the binding energy of bulk Be (75.3 kcal/mol). Comparison with earlier results from Hartree-Fock calculations shows significant differences in the calculated binding energy, ionization potential, and Mulliken populations. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469677
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Ab initio relativistic effective potentials with spin–orbit operators. III. Rb through Xe (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 2812-2824 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A refined version of the "shape consistent'' effective potential procedure of Christiansen, Lee, and Pitzer was used to compute averaged relativistic effective potentials (AREP) and spin–orbit operators for the elements Rb through Xe. Particular attention was given to the partitioning of the core and valence space and, where appropriate, more than one set of potentials is provided. These are tabulated in analytic form. Gaussian basis sets with contraction coefficients for the lowest energy state of each atom are given. The reliability of the transition metal AREPs was examined by comparing computed atomic excitation energies with accurate all-electron relativistic values. The spin–orbit operators were tested in calculations on selected atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453069
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Ab initio relativistic effective potentials with spin-orbit operators. II. K through Kr (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 6840-6853 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A refined version of the "shape consistent'' effective potential procedure of Christiansen, Lee, and Pitzer was used to compute averaged relativistic effective potentials (AREP) and spin-orbit operators for the atoms K through Kr. Particular attention was given to the partitioning of the core and valence space, and where appropriate more than one set of potentials is provided. These are tabulated in analytic form. Gaussian basis sets with expansion coefficients for the lowest energy state of each atom are given. The reliability of the transition metal AREPs was determined by comparing computed atomic excitation energies with accurate all-electron relativistic values. In all cases the maximum error was found to be less than 0.1 eV. The reliability of the spin-orbit operators was also considered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450689
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Ab initio calculations of spin-orbit coupling in the Group 13 and 17 atoms (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 3297-3300 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Spin-orbit splitting energies are presented for the lowest doublet states of the atoms in Groups 13 and 17 of the Periodic Table. The splittings are computed in procedures involving the use of spin-orbit operators derived from relativistic effective core potentials (REP) and from separate calculations of the individual states in j–j coupling using REP's. Comparison with experiment and with results due to all electron numerical Dirac–Fock calculations show that using the spin-orbit operator as a first-order perturbation to calculations carried out in LS coupling leads to an error of up to 7% in comparison to Dirac–Fock results. The indirect effect on the results due to orbital relaxation in the presence of the spin-orbit operator recovers about one-half of this error. The REP-based spin-orbit operator is shown to be quite accurate both for light and for heavy atoms. This is contrasted to the use of the spin-orbit operator comprised of one- and two-electron terms due to the Breit–Pauli approximation and Hartree–Fock wave functions, where the results degrade severely as the atomic mass increases. The nature of the spin-orbit interaction in fluorine is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450261
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    facet.materialart.
    Unknown
    How domain growth is implemented determines the long-term behavior of a cell population through its effect on spatial correlations (2016)
    American Physical Society (APS)
    Details
    Publication Date: 2016-07-15
    Description: Author(s): Robert J. H. Ross, R. E. Baker, and C. A. Yates Domain growth plays an important role in many biological systems, and so the inclusion of domain growth in models of these biological systems is important to understanding how these systems function. In this work we present methods to include the effects of domain growth on the evolution of spatial … [Phys. Rev. E 94, 012408] Published Thu Jul 14, 2016
    Keywords: Biological Physics
    Print ISSN: 1539-3755
    Electronic ISSN: 1550-2376
    Topics: Physics
    Published by American Physical Society (APS)
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    PAPER CURRENT
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...